On 1/15/13 3:28 AM, Ahmet yıldırım wrote:
Dear users,
I usually apply the positions restraint of 100 ps on system. Does it
produce a problem to apply the positions restraint for long time (100 or
200 ps)? cant it cause strain on structure?
Unlikely. The amount of equilibration necessary depends entirely upon the
system. Some of mine have used position restraints for 1 ns or more.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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